N-Benzylcinchonidinium chloride - CAS 69257-04-1
Catalog: |
BB033751 |
Product Name: |
N-Benzylcinchonidinium chloride |
CAS: |
69257-04-1 |
Synonyms: |
(R)-[(2S,4S,5R)-5-ethenyl-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol;chloride; (R)-[(2S,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;chloride |
IUPAC Name: | (R)-[(2S,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;chloride |
Description: | N-Benzylcinchonidinium Chloride (CAS# 69257-04-1) is a useful research chemical. |
Molecular Weight: | 420.97 |
Molecular Formula: | C26H29ClN2O |
Canonical SMILES: | C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5.[Cl-] |
InChI: | InChI=1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21-,25-,26+,28?;/m0./s1 |
InChI Key: | FCHYSBWCOKEPNQ-IOPLZPHGSA-M |
Melting Point: | 210 °C |
Purity: | 99 % |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | Powder |
Storage: | Inert atmosphere. Keep cold. |
MDL: | MFCD00082422 |
LogP: | 1.84240 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111917901-A | IP address addressing method in data center network BCDC | 20200807 |
CN-111917901-B | IP address addressing method in data center network BCDC | 20200807 |
US-2021089654-A1 | Detecting malwares in data streams | 20190924 |
US-2021017170-A1 | Processes for preparing toll-like receptor modulator compounds | 20190628 |
WO-2020264081-A1 | Processes for preparing toll-like receptor modulator compounds | 20190628 |
PMID | Publication Date | Title | Journal |
17268642 | 20061221 | Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol | Organic & biomolecular chemistry |
15387549 | 20040930 | Synthesis of new monodentate spiro phosphoramidite ligand and its application in Rh-catalyzed asymmetric hydrogenation reactions | Organic letters |
12561104 | 20021018 | 2,8'-disubstituted-1,1'-binaphthyls: a new pattern in chiral ligands | Chemistry (Weinheim an der Bergstrasse, Germany) |
11834513 | 20020301 | Aortic leucine-to-glutamate pathway: metabolic route and regulation of contractile responses | American journal of physiology. Heart and circulatory physiology |
11312967 | 20010223 | Copper(II)-mediated oxidative coupling of 2-aminonaphthalene homologues. Competition between the straight dimerization and the formation of carbazoles | The Journal of organic chemistry |
Complexity: | 573 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 420.1968412 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 420.1968412 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 33.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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